2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C17H13FN4OS — CID 53209799

IUPAC2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCc1ccc(C)c(Nc2nn3c(=O)c4ccc(F)cc4nc3s2)c1
InChIInChI=1S/C17H13FN4OS/c1-9-3-4-10(2)13(7-9)19-16-21-22-15(23)12-6-5-11(18)8-14(12)20-17(22)24-16/h3-8H,1-2H3,(H,19,21)
InChIKeyUDOZNMAWJHUYAK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.80
Rot. Bonds2

About 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 53209799) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID53209799
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCc1ccc(C)c(Nc2nn3c(=O)c4ccc(F)cc4nc3s2)c1
InChIInChI=1S/C17H13FN4OS/c1-9-3-4-10(2)13(7-9)19-16-21-22-15(23)12-6-5-11(18)8-14(12)20-17(22)24-16/h3-8H,1-2H3,(H,19,21)
InChIKeyUDOZNMAWJHUYAK-UHFFFAOYSA-N
XLogP3.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209795
8-chloro-2-(3,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209788
2-(2-ethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 30844888
methyl 2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
CID 22589750
2-(5-chloro-2-methylanilino)-N-(3-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 46278386
N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917966
2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 4660706
N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917984
2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 22588357
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917974
3-[2-(2,5-dimethylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-fluoroindol-2-one
CID 135834903

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 53209799) is 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is Cc1ccc(C)c(Nc2nn3c(=O)c4ccc(F)cc4nc3s2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is UDOZNMAWJHUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-9-3-4-10(2)13(7-9)19-16-21-22-15(23)12-6-5-11(18)8-14(12)20-17(22)24-16/h3-8H,1-2H3,(H,19,21).
What are the key properties of 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 340.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 53209799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).